(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

C12H15NO3 — CID 7145970

IUPAC(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyFQHFMERRNRYSDS-QWRGUYRKSA-N
MW221.26 g/mol
LogP1.08
Rot. Bonds3

About (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid

(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (PubChem CID 7145970) has the molecular formula C12H15NO3 and a molecular weight of 221.26 g/mol. Its IUPAC name is (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
PubChem CID7145970
Molecular FormulaC12H15NO3
Molecular Weight221.26 g/mol
Exact Mass221.11
IUPAC Name(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid
SMILESCOc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1
InChIInChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1
InChIKeyFQHFMERRNRYSDS-QWRGUYRKSA-N
XLogP1.08
TPSA58.56 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.26
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

(3S,4R)-4-(3-methoxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762171
(3R,4R)-4-(4-methylphenyl)pyrrolidine-3-carboxylic acid
CID 7145905
N-(cyclopropylmethyl)-4-(4-methoxyphenyl)pyrrolidine-3-carboxamide
CID 42825230
(3S,4R)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid
CID 2762183
benzyl 4-(4-methoxyphenyl)pyrrolidine-3-carboxylate
CID 135307059
(3R,4S)-4-(4-hydroxyphenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 56972006
4-(2,5-dimethoxyphenyl)pyrrolidine-3-carboxylic acid
CID 63938447
(4S)-3-(4-methoxyphenyl)-4-methylpyrrolidine
CID 58606780
(3R)-4-(4-ethylphenyl)pyrrolidine-3-carboxylic acid
CID 46839530
4-(4-bromophenyl)pyrrolidine-3-carboxylic acid;hydrochloride
CID 53398064
[4-(4-methoxyphenyl)pyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 42825231
cis-(1S,2R)-2-(4-methoxyphenyl)cyclohexane-1-carboxylic acid
CID 91536738

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The IUPAC name of (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid (CID 7145970) is (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is COc1ccc([C@@H]2CNC[C@@H]2C(=O)O)cc1.
What is the InChIKey of (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
The InChIKey is FQHFMERRNRYSDS-QWRGUYRKSA-N. The full InChI is InChI=1S/C12H15NO3/c1-16-9-4-2-8(3-5-9)10-6-13-7-11(10)12(14)15/h2-5,10-11,13H,6-7H2,1H3,(H,14,15)/t10-,11-/m0/s1.
What are the key properties of (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid?
(3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid has a molecular weight of 221.26 g/mol, XLogP of 1.08, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-(4-methoxyphenyl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 7145970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).